Data quality metrics extracted from 7u98.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "e5889704621ab07b51e562aa45cc2ca5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.353,
    "b": 100.923,
    "c": 88.309,
    "alpha": 90.00,
    "beta": 102.17,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.320,3.410],
    "number_observations": 55699,
    "number_observations_unique": 16531,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.204
      },
      {
        "type": "R(pim)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 4.500
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.470,3.410],
      "number_observations": 2423,
      "number_observations_unique": 748,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.676
        },
        {
          "type": "R(pim)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 90.100
        },
        {
          "type": "Redundancy",
          "value": 3.200
        }
      ]
    },
    {
      "resolution_limits": [86.350,9.260],
      "number_observations": 2774,
      "number_observations_unique": 863,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "R(pim)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 17.300
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 3.200
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):